- InChI
- InChI=1S/C7H6Cl2N4/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H2
- InChI Key
- BLBSNXLJIBKTOJ-UHFFFAOYSA-N
- Formula
- C7H6Cl2N4
- SMILES
- ClCCn1cnc2c(Cl)ncnc21
- Molecular Weight1
- 217.06
- CAS
- 64127-00-0
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5520 | Relay (1.0) Calculated Property | |
| ΔfG° | 310.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 174.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.718 | Crippen Calculated Property | |
| McVol | 134.970 | ml/mol | McGowan Calculated Property |
| Pc | 4416.71 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 585.29 | K | Relay (1.0) Calculated Property |
| Tc | 905.36 | K | Relay (1.0) Calculated Property |
| Tfus | 415.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Urea, 1-methyl-3-[2-[6-(methylthio)-9h-purin-9-yl]ethyl]-.](data:image/png;base64,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)
Find more compounds similar to 9H-purine, 6-chloro-9-(2-chloroethyl)-.
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- Crippen Method
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